5280492 -OEChem-10051722563D 56 55 0 1 0 0 0 0 0999 V2000 6.0865 1.5492 -0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2325 4.1097 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 -4.5197 0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 -2.5438 0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 -1.6440 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 -2.6810 0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 -0.6922 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7591 -0.4213 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 -3.7493 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 -1.0185 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 1.1149 -0.6004 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0700 0.3650 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3874 -2.5459 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8689 2.0743 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 -4.8622 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 1.5984 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7735 2.7977 -0.3122 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4897 1.7885 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 2.9474 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -3.1622 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 2.2464 1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 2.4918 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 2.1492 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9062 2.6076 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2946 -2.1676 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 -1.0473 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5966 -3.1835 1.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 -2.1627 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0334 -0.2545 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9426 -1.2699 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 -0.8221 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0494 -0.7439 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9693 -4.1983 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 -3.2705 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.6224 -0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 -0.7219 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 1.4915 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9306 0.1005 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -2.8600 -1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -2.9473 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 2.7549 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 1.2415 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 -5.4076 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 -5.5736 -0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 -4.4590 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7964 2.3048 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 2.2753 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 1.8858 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 3.4486 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0687 2.5190 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 2.7020 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 1.9937 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 1.6838 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 4.0168 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 3.0822 1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 -4.9274 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 50 1 0 0 0 0 2 17 1 0 0 0 0 2 54 1 0 0 0 0 3 20 1 0 0 0 0 3 56 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 12 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 15 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 12 16 2 0 0 0 0 12 38 1 0 0 0 0 13 20 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 21 2 0 0 0 0 18 48 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 55 1 0 0 0 0 M END > DB12961 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VNYSSYRCGWBHLG-AMOLWHMGSA-N/SDF?record_type=3d > CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O > InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 > VNYSSYRCGWBHLG-AMOLWHMGSA-N > C20H32O4 > 336.4657 > 336.230059512 > 4 > 56 > -0.9955901314578853 > 39.514010035725704 > 1 > 3 > 0 > 1 > (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid > 5.46 > 4.125548676999999 > -4.34 > 0 > -1 > 0 > -1 > 17.720820347637158 > 4.6463449725928205 > -1.2749373349576958 > 77.76 > 102.985 > 14 > 1 > 1.52e-02 g/l > biotin > 0 $$$$